ethyl 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylate

C11H17N3O3 — CID 103105021

IUPACethyl 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylate
SMILESCCOC(=O)c1nnn(C2CCCC2O)c1C
InChIInChI=1S/C11H17N3O3/c1-3-17-11(16)10-7(2)14(13-12-10)8-5-4-6-9(8)15/h8-9,15H,3-6H2,1-2H3
InChIKeyAQGFYZQZLDWBAI-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.85
Rot. Bonds3

About ethyl 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylate

ethyl 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylate (PubChem CID 103105021) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylate
PubChem CID103105021
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Nameethyl 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylate
SMILESCCOC(=O)c1nnn(C2CCCC2O)c1C
InChIInChI=1S/C11H17N3O3/c1-3-17-11(16)10-7(2)14(13-12-10)8-5-4-6-9(8)15/h8-9,15H,3-6H2,1-2H3
InChIKeyAQGFYZQZLDWBAI-UHFFFAOYSA-N
XLogP0.85
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-tert-butyl-1-(2-hydroxycyclopentyl)triazole-4-carboxylate
CID 103106351
ethyl 5-(chloromethyl)-1-(2-hydroxycyclohexyl)triazole-4-carboxylate
CID 103108880
1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylic acid
CID 62054199
ethyl 1-(2-bicyclo[2.2.1]heptanyl)-5-methyltriazole-4-carboxylate
CID 114246227
ethyl 1-(2-hydroxycycloheptyl)tetrazole-5-carboxylate
CID 79318330
ethyl 1-(2-hydroxycyclohexyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 63234906
ethyl 5-(chloromethyl)-1-(2-ethylcyclohexyl)triazole-4-carboxylate
CID 103108928
ethyl 1,5-dimethyltriazole-4-carboxylate
CID 14969764
prop-2-enyl 5-methyl-1-(3-methylcyclohexyl)triazole-4-carboxylate
CID 103114452
ethyl 1-(2-ethylcyclohexyl)-5-propan-2-yltriazole-4-carboxylate
CID 103105252
ethyl 5-(aminomethyl)-1-(cyclobutylmethyl)triazole-4-carboxylate
CID 103111414
2-(4-ethoxycarbonyl-5-methyltriazol-1-yl)acetic acid
CID 82222614

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylate?
The IUPAC name of ethyl 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylate (CID 103105021) is ethyl 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylate?
The canonical SMILES for ethyl 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylate is CCOC(=O)c1nnn(C2CCCC2O)c1C.
What is the InChIKey of ethyl 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylate?
The InChIKey is AQGFYZQZLDWBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-17-11(16)10-7(2)14(13-12-10)8-5-4-6-9(8)15/h8-9,15H,3-6H2,1-2H3.
What are the key properties of ethyl 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylate?
ethyl 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-hydroxycyclopentyl)-5-methyltriazole-4-carboxylate is sourced from PubChem (CID 103105021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).